UCSF

ZINC34577939

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 11 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -3.72 -2.37 -100.62 6 5 1 99 162.213 6
Hi High (pH 8-9.5) -3.72 -2.77 -66.92 5 5 0 97 161.205 6
Lo Low (pH 4.5-6) -3.72 -4.33 -108.43 7 5 2 96 163.221 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )